SCHEMBL78925

SCHEMBL78925

Cc1cc(Cl)c(OCCOc2ccc(C(C)(C)C)cn2)c(Cl)c1

nearest known ligand 0.45

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
L3MBTL1 Q9Y468 5/20 0.45
MAPT P10636 4/20 0.45
HPGD P15428 2/20 0.45
MAPK1 P28482 1/20 0.45
TDP1 Q9NUW8 1/20 0.41
SMN1; SMN2 Q16637 1/20 0.36
S1PR4 O95977 1/20 0.36
KDM4E B2RXH2 4/20 0.35
RAB9A P51151 3/20 0.35
POLB P06746 2/20 0.35
REN P00797 7/20 0.35
ALDH1A1 P00352 1/20 0.34
LMNA P02545 1/20 0.33
ATM Q13315 1/20 0.33
CYP2C19 P33261 1/20 0.33
GAA P10253 1/20 0.33

Click a target to see other patent compounds predicted against it — the reverse direction, in place.

Similar compounds — the chemically nearest patent molecules

Nearest neighbours by Morgan-fingerprint cosine across the patent-compound collection, with each neighbour's top predicted target and the predicted targets it shares with this molecule.

Compoundsimilaritytop predictedshared targets
SCHEMBL78926 0.91 MAPT (0.38) L3MBTL1MAPTHPGDMAPK1TDP1
SCHEMBL78506 0.86 L3MBTL1 (0.44) L3MBTL1MAPTHPGDMAPK1SMN1; SMN2
SCHEMBL1750892 0.81 MAPT (0.48) L3MBTL1MAPTHPGDMAPK1TDP1
SCHEMBL78168 0.80 L3MBTL1 (0.46) L3MBTL1MAPTHPGDMAPK1TDP1
SCHEMBL78449 0.78 SCN8A (0.40) MAPTSMN1; SMN2KDM4ERAB9APOLB
SCHEMBL3660700 0.78 KDM4E (0.50) L3MBTL1MAPTHPGDMAPK1TDP1
SCHEMBL78167 0.77 KMT2A (0.54) L3MBTL1MAPTHPGDMAPK1TDP1
SCHEMBL13538059 0.77 MAPT (0.44) L3MBTL1MAPTHPGDMAPK1TDP1
SCHEMBL78164 0.77 OXTR (0.34) L3MBTL1MAPTHPGDMAPK1SMN1; SMN2
SCHEMBL7716830 0.76 HPGD (0.41) L3MBTL1MAPTHPGDMAPK1SMN1; SMN2

Similarity is cosine over the 2,048-bit Morgan fingerprint (≈ Tanimoto). Identical fingerprints score 1.00.

Patent provenance — the patents this molecule appears in, and who filed them

Claimed or disclosed in 2 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-8129538-B1 Renin inhibitors TAKEDA PHARMACEUTICAL COMPANY LIMITED (JP) 2012-03-06 US disclosed
US-8129538-B1 Renin inhibitors TAKEDA PHARMACEUTICAL COMPANY LIMITED (JP) 2012-03-06 US disclosed